A1AH3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C3 | C4 | sing | 1.47Å | 1.48Å | |
| C4 | N1 | trip | 1.14Å | 1.14Å | |
| C3 | O2 | sing | 1.45Å | 1.43Å | |
| O2 | C5 | sing | 1.44Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O3 | sing | 1.43Å | 1.45Å | |
| O3 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O4 | sing | 1.61Å | 1.60Å | |
| O4 | P2 | sing | 1.61Å | 1.64Å | |
| P2 | O5 | sing | 1.61Å | 1.60Å | |
| O5 | C7 | sing | 1.43Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | O6 | sing | 1.44Å | 1.44Å | |
| C11 | O7 | sing | 1.43Å | 1.40Å | |
| C10 | O8 | sing | 1.43Å | 1.43Å | |
| C9 | O9 | sing | 1.43Å | 1.43Å | |
| P2 | O10 | sing | 1.61Å | 1.49Å | |
| P2 | O11 | doub | 1.48Å | 1.49Å | |
| P1 | O12 | sing | 1.61Å | 1.50Å | |
| P1 | O13 | doub | 1.48Å | 1.48Å | |
| C3 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.36Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | N2 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| N3 | C16 | doub | 1.30Å | 1.31Å | Aromatic |
| C16 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C17 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | N5 | sing | 1.38Å | 1.34Å | |
| C2 | O14 | sing | 1.43Å | 1.42Å | |
| C1 | C5 | sing | 1.54Å | 1.53Å | |
| C8 | O6 | sing | 1.44Å | 1.45Å | |
| C12 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| C15 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O10 | H22 | sing | 0.97Å | 0.95Å | |
| O12 | H23 | sing | 0.97Å | 0.95Å | |
| O14 | H21 | sing | 0.97Å | 0.95Å | |
| O7 | H13 | sing | 0.97Å | 0.95Å | |
| O8 | H14 | sing | 0.97Å | 0.95Å | |
| O9 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.1° | 110.5° |
| O1 | C1 | C5 | 111.9° | 110.5° |
| O1 | C1 | H2 | 112.1° | 110.6° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 102.8° | 104.1° |
| C1 | C2 | O14 | 114.1° | 110.5° |
| C2 | C1 | C5 | 100.0° | 104.1° |
| C2 | C1 | H2 | 110.5° | 110.5° |
| C1 | C2 | H3 | 108.7° | 110.5° |
| C2 | C3 | C4 | 109.8° | 110.3° |
| C2 | C3 | O2 | 101.1° | 104.9° |
| C2 | C3 | C12 | 116.4° | 110.4° |
| C3 | C2 | O14 | 112.2° | 110.5° |
| C3 | C2 | H3 | 108.5° | 110.5° |
| C3 | C4 | N1 | 173.1° | 180.0° |
| C4 | C3 | O2 | 114.0° | 110.2° |
| C4 | C3 | C12 | 107.5° | 110.3° |
| C3 | O2 | C5 | 112.2° | 105.2° |
| O2 | C3 | C12 | 108.1° | 110.5° |
| O2 | C5 | C6 | 109.2° | 110.4° |
| O2 | C5 | C1 | 104.6° | 104.9° |
| O2 | C5 | H4 | 109.5° | 110.3° |
| C5 | C6 | O3 | 110.4° | 109.5° |
| C6 | C5 | C1 | 115.8° | 110.4° |
| C6 | C5 | H4 | 108.8° | 110.3° |
| C5 | C6 | H5 | 109.3° | 109.5° |
| C5 | C6 | H6 | 109.2° | 109.5° |
| C6 | O3 | P1 | 121.4° | 123.0° |
| O3 | C6 | H5 | 109.2° | 109.5° |
| O3 | C6 | H6 | 109.2° | 109.5° |
| O3 | P1 | O4 | 104.6° | 109.4° |
| O3 | P1 | O12 | 110.9° | 109.5° |
| O3 | P1 | O13 | 103.6° | 109.5° |
| P1 | O4 | P2 | 135.2° | 134.0° |
| O4 | P1 | O12 | 106.3° | 109.5° |
| O4 | P1 | O13 | 112.4° | 109.5° |
| O4 | P2 | O5 | 101.3° | 109.4° |
| O4 | P2 | O10 | 107.4° | 109.5° |
| O4 | P2 | O11 | 108.6° | 109.5° |
| P2 | O5 | C7 | 118.6° | 123.0° |
| O5 | P2 | O10 | 104.9° | 109.4° |
| O5 | P2 | O11 | 112.5° | 109.5° |
| O5 | C7 | C8 | 109.0° | 109.4° |
| O5 | C7 | H7 | 109.6° | 109.4° |
| O5 | C7 | H8 | 109.6° | 109.5° |
| C7 | C8 | C9 | 115.6° | 110.4° |
| C7 | C8 | O6 | 110.0° | 110.4° |
| C8 | C7 | H7 | 109.6° | 109.4° |
| C8 | C7 | H8 | 109.6° | 109.5° |
| C7 | C8 | H9 | 108.0° | 110.4° |
| C8 | C9 | C10 | 102.2° | 104.1° |
| C8 | C9 | O9 | 111.0° | 110.5° |
| C9 | C8 | O6 | 106.5° | 104.8° |
| C9 | C8 | H9 | 107.8° | 110.4° |
| C8 | C9 | H10 | 109.6° | 110.5° |
| C9 | C10 | C11 | 103.0° | 104.1° |
| C9 | C10 | O8 | 114.6° | 110.6° |
| C10 | C9 | O9 | 112.9° | 110.5° |
| C9 | C10 | H11 | 108.0° | 110.6° |
| C10 | C9 | H10 | 109.6° | 110.6° |
| C10 | C11 | O6 | 104.4° | 104.8° |
| C10 | C11 | O7 | 114.1° | 110.4° |
| C11 | C10 | O8 | 113.4° | 110.5° |
| C11 | C10 | H11 | 108.1° | 110.5° |
| C10 | C11 | H12 | 108.7° | 110.3° |
| O6 | C11 | O7 | 109.4° | 110.4° |
| C11 | O6 | C8 | 110.4° | 105.3° |
| O6 | C11 | H12 | 109.8° | 110.4° |
| O7 | C11 | H12 | 110.4° | 110.4° |
| C11 | O7 | H13 | 109.5° | 114.0° |
| O8 | C10 | H11 | 109.4° | 110.5° |
| C10 | O8 | H14 | 109.5° | 114.0° |
| O9 | C9 | H10 | 111.1° | 110.5° |
| C9 | O9 | H15 | 109.5° | 113.9° |
| O10 | P2 | O11 | 120.4° | 109.5° |
| P2 | O10 | H22 | 109.5° | 114.0° |
| O12 | P1 | O13 | 118.4° | 109.5° |
| P1 | O12 | H23 | 109.5° | 114.0° |
| C3 | C12 | C13 | 129.4° | 125.4° |
| C3 | C12 | N2 | 123.2° | 125.5° |
| C12 | C13 | C14 | 106.9° | 107.9° |
| C13 | C12 | N2 | 107.4° | 109.1° |
| C12 | C13 | H16 | 126.5° | 126.1° |
| C13 | C14 | C15 | 107.9° | 106.8° |
| C14 | C13 | H16 | 126.5° | 126.0° |
| C13 | C14 | H17 | 126.0° | 126.6° |
| C14 | C15 | N2 | 108.2° | 107.6° |
| C14 | C15 | C17 | 134.8° | 133.8° |
| C15 | C14 | H17 | 126.1° | 126.6° |
| C15 | N2 | N3 | 123.1° | 118.3° |
| C15 | N2 | C12 | 109.6° | 108.5° |
| N2 | C15 | C17 | 117.0° | 118.5° |
| N2 | N3 | C16 | 116.1° | 120.1° |
| N3 | N2 | C12 | 127.3° | 133.2° |
| N3 | C16 | N4 | 125.6° | 122.3° |
| N3 | C16 | H18 | 117.2° | 118.9° |
| C16 | N4 | C17 | 119.0° | 121.6° |
| N4 | C16 | H18 | 117.2° | 118.8° |
| N4 | C17 | N5 | 119.0° | 120.4° |
| N4 | C17 | C15 | 119.1° | 119.2° |
| N5 | C17 | C15 | 121.9° | 120.4° |
| C17 | N5 | H19 | 109.5° | 120.0° |
| C17 | N5 | H20 | 109.5° | 120.1° |
| O14 | C2 | H3 | 110.2° | 110.6° |
| C2 | O14 | H21 | 109.5° | 113.9° |
| C1 | C5 | H4 | 108.7° | 110.4° |
| C5 | C1 | H2 | 110.6° | 110.5° |
| O6 | C8 | H9 | 108.8° | 110.4° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H19 | N5 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C5 | 118.3° | 118.7° |
| O1 | C1 | C2 | H2 | 125.1° | 122.7° |
| O1 | C1 | C2 | C3 | 75.5° | 118.7° |
| O1 | C1 | C5 | O2 | 87.5° | 142.6° |
| O1 | C1 | C5 | C6 | 152.3° | 98.5° |
| O1 | C1 | C2 | O14 | 46.2° | 0.0° |
| O1 | C1 | C5 | H2 | 125.8° | 122.7° |
| O1 | C1 | C5 | H4 | 29.4° | 23.7° |
| O1 | C1 | C2 | H3 | 169.6° | 122.7° |
| C1 | C2 | C3 | O14 | 123.0° | 118.7° |
| C1 | C2 | C3 | H3 | 115.0° | 118.6° |
| C1 | C2 | C3 | C4 | 81.2° | 94.8° |
| C1 | C2 | C3 | O2 | 39.6° | 23.9° |
| C2 | C1 | C5 | O2 | 30.2° | 23.9° |
| C2 | C1 | C5 | C6 | 90.1° | 142.8° |
| C1 | C2 | C3 | C12 | 156.4° | 142.9° |
| C1 | C2 | O14 | H3 | 122.6° | 122.7° |
| C2 | C1 | C5 | H2 | 116.5° | 118.6° |
| C2 | C1 | C5 | H4 | 147.1° | 95.0° |
| C2 | C1 | O1 | H1 | 180.0° | 61.5° |
| C1 | C2 | O14 | H21 | 180.0° | 61.5° |
| C2 | C3 | C4 | O2 | 112.6° | 115.4° |
| C2 | C3 | C4 | C12 | 127.6° | 122.3° |
| C2 | C3 | C4 | N1 | 77.3° | 151.9° |
| C2 | C3 | O2 | C12 | 122.8° | 119.0° |
| C2 | C3 | O2 | C5 | 20.8° | 40.3° |
| C2 | C3 | C12 | C13 | 1.1° | 5.0° |
| C3 | C2 | O14 | H3 | 121.0° | 122.6° |
| C3 | C2 | C1 | C5 | 42.8° | 0.0° |
| C2 | C3 | C12 | N2 | 179.5° | 175.0° |
| C3 | C2 | C1 | H2 | 159.4° | 118.6° |
| C3 | C2 | O14 | H21 | 63.6° | 176.1° |
| C4 | C3 | O2 | C12 | 119.5° | 122.2° |
| C4 | C3 | O2 | C5 | 96.9° | 78.5° |
| C4 | C3 | C12 | C13 | 124.7° | 117.3° |
| C4 | C3 | C2 | O14 | 41.8° | 23.8° |
| C4 | C3 | C12 | N2 | 55.8° | 62.8° |
| C4 | C3 | C2 | H3 | 163.8° | 146.5° |
| N1 | C4 | C3 | O2 | 170.1° | 92.7° |
| N1 | C4 | C3 | C12 | 50.3° | 29.6° |
| C3 | O2 | C5 | C6 | 118.6° | 159.3° |
| O2 | C3 | C12 | C13 | 111.7° | 120.5° |
| O2 | C3 | C2 | O14 | 162.6° | 142.5° |
| C3 | O2 | C5 | C1 | 6.0° | 40.3° |
| O2 | C3 | C12 | N2 | 67.7° | 59.4° |
| C3 | O2 | C5 | H4 | 122.4° | 78.6° |
| O2 | C3 | C2 | H3 | 75.4° | 94.8° |
| O2 | C5 | C6 | C1 | 117.7° | 115.6° |
| O2 | C5 | C6 | H4 | 119.4° | 122.2° |
| O2 | C5 | C6 | O3 | 89.6° | 67.9° |
| C5 | O2 | C3 | C12 | 143.6° | 159.3° |
| O2 | C5 | C1 | H4 | 116.9° | 118.9° |
| O2 | C5 | C6 | H5 | 30.6° | 172.1° |
| O2 | C5 | C6 | H6 | 150.3° | 52.1° |
| O2 | C5 | C1 | H2 | 146.7° | 94.7° |
| C5 | C6 | O3 | H5 | 120.2° | 120.0° |
| C5 | C6 | O3 | H6 | 120.1° | 120.0° |
| C5 | C6 | O3 | P1 | 156.0° | 180.0° |
| C6 | C5 | C1 | H4 | 122.9° | 122.2° |
| C5 | C6 | H5 | H6 | 119.6° | 120.0° |
| C6 | C5 | C1 | H2 | 26.5° | 24.2° |
| C6 | O3 | P1 | O4 | 53.1° | 175.0° |
| C6 | O3 | P1 | O12 | 61.1° | 65.0° |
| C6 | O3 | P1 | O13 | 170.9° | 55.0° |
| O3 | C6 | C5 | C1 | 28.2° | 176.5° |
| O3 | C6 | C5 | H4 | 151.0° | 54.3° |
| O3 | C6 | H5 | H6 | 119.6° | 120.0° |
| O3 | P1 | O4 | O12 | 117.3° | 120.0° |
| O3 | P1 | O4 | O13 | 111.7° | 120.0° |
| O3 | P1 | O4 | P2 | 86.0° | 165.0° |
| O3 | P1 | O12 | O13 | 119.5° | 120.0° |
| P1 | O3 | C6 | H5 | 35.9° | 60.0° |
| P1 | O3 | C6 | H6 | 83.8° | 60.0° |
| O3 | P1 | O12 | H23 | 119.5° | 59.9° |
| P1 | O4 | P2 | O5 | 72.9° | 160.0° |
| P1 | O4 | P2 | O10 | 36.8° | 80.0° |
| P1 | O4 | P2 | O11 | 168.5° | 40.0° |
| O4 | P1 | O12 | O13 | 127.4° | 120.0° |
| O4 | P1 | O12 | H23 | 127.4° | 60.0° |
| O4 | P2 | O5 | O10 | 111.7° | 120.0° |
| O4 | P2 | O5 | O11 | 115.8° | 120.0° |
| O4 | P2 | O5 | C7 | 77.7° | 175.0° |
| O4 | P2 | O10 | O11 | 124.9° | 120.0° |
| P2 | O4 | P1 | O12 | 156.6° | 75.0° |
| P2 | O4 | P1 | O13 | 25.7° | 45.0° |
| O4 | P2 | O10 | H22 | 124.9° | 59.9° |
| P2 | O5 | C7 | C8 | 161.2° | 180.0° |
| O5 | P2 | O10 | O11 | 127.9° | 120.0° |
| P2 | O5 | C7 | H7 | 41.3° | 60.1° |
| P2 | O5 | C7 | H8 | 78.9° | 60.0° |
| O5 | P2 | O10 | H22 | 127.9° | 60.0° |
| O5 | C7 | C8 | H7 | 119.9° | 119.9° |
| O5 | C7 | C8 | H8 | 119.9° | 120.0° |
| O5 | C7 | C8 | C9 | 173.9° | 175.0° |
| C7 | O5 | P2 | O10 | 170.6° | 65.1° |
| C7 | O5 | P2 | O11 | 38.1° | 55.0° |
| O5 | C7 | C8 | O6 | 65.5° | 69.7° |
| O5 | C7 | H7 | H8 | 120.2° | 120.0° |
| O5 | C7 | C8 | H9 | 53.1° | 52.7° |
| C7 | C8 | C9 | O6 | 122.5° | 118.8° |
| C7 | C8 | C9 | H9 | 120.9° | 122.3° |
| C7 | C8 | C9 | C10 | 99.4° | 142.8° |
| C7 | C8 | O6 | C11 | 124.5° | 159.3° |
| C7 | C8 | C9 | O9 | 140.0° | 98.6° |
| C7 | C8 | O6 | H9 | 118.1° | 122.4° |
| C8 | C7 | H7 | H8 | 120.2° | 120.1° |
| C7 | C8 | C9 | H10 | 16.8° | 24.1° |
| C8 | C9 | C10 | O9 | 119.3° | 118.6° |
| C8 | C9 | C10 | H10 | 116.2° | 118.7° |
| C8 | C9 | C10 | C11 | 35.0° | 0.1° |
| C9 | C8 | O6 | C11 | 1.5° | 40.6° |
| C8 | C9 | C10 | O8 | 158.6° | 118.6° |
| C8 | C9 | O9 | H10 | 122.3° | 122.7° |
| C9 | C8 | O6 | H9 | 115.9° | 118.9° |
| C9 | C8 | C7 | H7 | 66.2° | 55.1° |
| C9 | C8 | C7 | H8 | 54.0° | 65.0° |
| C8 | C9 | C10 | H11 | 79.3° | 118.7° |
| C8 | C9 | O9 | H15 | 180.0° | 180.0° |
| C9 | C10 | C11 | O8 | 124.4° | 118.7° |
| C9 | C10 | C11 | H11 | 114.2° | 118.7° |
| C9 | C10 | C11 | O6 | 34.9° | 24.0° |
| C9 | C10 | C11 | O7 | 154.2° | 142.8° |
| C9 | C10 | O8 | H11 | 121.4° | 122.8° |
| C10 | C9 | O9 | H10 | 123.6° | 122.7° |
| C10 | C9 | C8 | O6 | 23.0° | 24.0° |
| C10 | C9 | C8 | H9 | 139.6° | 94.9° |
| C9 | C10 | C11 | H12 | 82.2° | 94.9° |
| C9 | C10 | O8 | H14 | 180.0° | 176.1° |
| C10 | C9 | O9 | H15 | 65.9° | 65.3° |
| C10 | C11 | O6 | O7 | 122.5° | 118.8° |
| C10 | C11 | O6 | H12 | 116.3° | 118.8° |
| C10 | C11 | O7 | H12 | 122.7° | 122.3° |
| C11 | C10 | O8 | H11 | 120.7° | 122.6° |
| C11 | C10 | C9 | O9 | 84.3° | 118.6° |
| C10 | C11 | O6 | C8 | 21.0° | 40.5° |
| C11 | C10 | C9 | H10 | 151.2° | 118.7° |
| C10 | C11 | O7 | H13 | 180.0° | 180.0° |
| C11 | C10 | O8 | H14 | 62.1° | 61.5° |
| O6 | C11 | O7 | H12 | 120.9° | 122.4° |
| O6 | C11 | C10 | O8 | 159.3° | 142.7° |
| C11 | O6 | C8 | H9 | 117.4° | 78.3° |
| O6 | C11 | C10 | H11 | 79.3° | 94.8° |
| O6 | C11 | O7 | H13 | 63.5° | 64.6° |
| O7 | C11 | C10 | O8 | 81.4° | 98.5° |
| O7 | C11 | O6 | C8 | 143.5° | 159.3° |
| O7 | C11 | C10 | H11 | 40.0° | 24.1° |
| O8 | C10 | C9 | O9 | 39.3° | 0.0° |
| O8 | C10 | C11 | H12 | 42.2° | 23.8° |
| O8 | C10 | C9 | H10 | 85.2° | 122.7° |
| O9 | C9 | C8 | O6 | 97.6° | 142.6° |
| O9 | C9 | C8 | H9 | 19.0° | 23.7° |
| O9 | C9 | C10 | H11 | 161.4° | 122.7° |
| O11 | P2 | O10 | H22 | 0.0° | 180.0° |
| O13 | P1 | O12 | H23 | 0.0° | 179.9° |
| C3 | C12 | C13 | N2 | 179.5° | 179.9° |
| C3 | C12 | C13 | C14 | 179.3° | 179.9° |
| C3 | C12 | N2 | C15 | 179.1° | 180.0° |
| C3 | C12 | N2 | N3 | 0.1° | 0.0° |
| C12 | C3 | C2 | O14 | 80.6° | 98.4° |
| C3 | C12 | C13 | H16 | 0.7° | 0.0° |
| C12 | C3 | C2 | H3 | 41.4° | 24.3° |
| C12 | C13 | C14 | H16 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | N2 | C15 | 0.4° | 0.0° |
| C13 | C12 | N2 | N3 | 179.6° | 180.0° |
| C12 | C13 | C14 | H17 | 179.9° | 179.9° |
| C13 | C14 | C15 | H17 | 180.0° | 179.9° |
| C13 | C14 | C15 | N2 | 0.4° | 0.0° |
| C14 | C13 | C12 | N2 | 0.2° | 0.0° |
| C13 | C14 | C15 | C17 | 179.4° | 180.0° |
| C14 | C15 | N2 | C17 | 179.2° | 179.9° |
| C14 | C15 | N2 | N3 | 179.8° | 180.0° |
| C14 | C15 | C17 | N4 | 179.1° | 180.0° |
| C14 | C15 | C17 | N5 | 0.7° | 0.1° |
| C14 | C15 | N2 | C12 | 0.5° | 0.0° |
| C15 | C14 | C13 | H16 | 179.9° | 180.0° |
| C15 | N2 | N3 | C12 | 179.1° | 180.0° |
| C15 | N2 | N3 | C16 | 0.3° | 0.0° |
| N2 | C15 | C17 | N4 | 2.0° | 0.0° |
| N2 | C15 | C17 | N5 | 179.6° | 180.0° |
| N2 | C15 | C14 | H17 | 179.6° | 179.9° |
| N2 | N3 | C16 | N4 | 0.5° | 0.0° |
| N3 | N2 | C15 | C17 | 1.1° | 0.0° |
| N2 | N3 | C16 | H18 | 179.5° | 180.0° |
| N3 | C16 | N4 | H18 | 180.0° | 180.0° |
| N3 | C16 | N4 | C17 | 1.5° | 0.0° |
| C16 | N3 | N2 | C12 | 179.4° | 180.0° |
| C16 | N4 | C17 | N5 | 179.4° | 180.0° |
| C16 | N4 | C17 | C15 | 2.2° | 0.1° |
| N4 | C17 | N5 | C15 | 178.4° | 180.0° |
| C17 | N4 | C16 | H18 | 178.5° | 180.0° |
| N4 | C17 | N5 | H19 | 0.0° | 180.0° |
| N4 | C17 | N5 | H20 | 120.0° | 0.0° |
| C17 | N5 | H19 | H20 | 120.0° | 179.9° |
| O14 | C2 | C1 | C5 | 164.6° | 118.6° |
| O14 | C2 | C1 | H2 | 78.9° | 122.7° |
| C1 | C5 | C6 | H5 | 148.3° | 56.5° |
| C1 | C5 | C6 | H6 | 92.0° | 63.4° |
| C5 | C1 | C2 | H3 | 72.1° | 118.6° |
| C5 | C1 | O1 | H1 | 69.2° | 176.1° |
| O6 | C8 | C7 | H7 | 54.4° | 170.4° |
| O6 | C8 | C7 | H8 | 174.6° | 50.3° |
| C8 | O6 | C11 | H12 | 95.3° | 78.3° |
| O6 | C8 | C9 | H10 | 139.3° | 94.7° |
| C12 | N2 | C15 | C17 | 179.7° | 180.0° |
| N2 | C12 | C13 | H16 | 179.8° | 180.0° |
| C17 | C15 | C14 | H17 | 0.6° | 0.1° |
| C15 | C17 | N5 | H19 | 178.4° | 0.0° |
| C15 | C17 | N5 | H20 | 58.4° | 180.0° |
| H4 | C5 | C6 | H5 | 88.8° | 65.7° |
| H4 | C5 | C6 | H6 | 30.9° | 174.3° |
| H4 | C5 | C1 | H2 | 96.4° | 146.4° |
| H7 | C7 | C8 | H9 | 173.0° | 67.2° |
| H8 | C7 | C8 | H9 | 66.8° | 172.7° |
| H9 | C8 | C9 | H10 | 104.1° | 146.4° |
| H11 | C10 | C11 | H12 | 163.6° | 146.3° |
| H11 | C10 | C9 | H10 | 37.0° | 0.0° |
| H11 | C10 | O8 | H14 | 58.6° | 61.1° |
| H16 | C13 | C14 | H17 | 0.1° | 0.1° |
| H2 | C1 | C2 | H3 | 44.5° | 0.0° |
| H2 | C1 | O1 | H1 | 55.8° | 61.2° |
| H12 | C11 | O7 | H13 | 57.3° | 57.7° |
| H3 | C2 | O14 | H21 | 57.4° | 61.2° |
| H10 | C9 | O9 | H15 | 57.7° | 57.4° |
